SCHEMBL17830729

SCHEMBL17830729

O=C(Cn1c(=O)oc2cc(Cl)ccc21)OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
IDO1 P14902 2/20 0.43
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
PIK3CB P42338 1/20 0.42
TP53 P04637 1/20 0.42
TNIK Q9UKE5 1/20 0.42
KMT2A Q03164 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17830728 0.89 ALDH1A1 (0.45) CYP3A4POLBMAPTLMNAUSP2
SCHEMBL17830725 0.89 POLB (0.52) CYP3A4POLBMAPTLMNAUSP2
SCHEMBL17830727 0.87 IDO1 (0.55) POLBMAPTLMNAUSP2ALDH1A1
SCHEMBL17830736 0.87 MIF (0.52) CYP3A4POLBMAPTLMNAUSP2
SCHEMBL17830715 0.85 PIK3CB (0.54) POLBMAPTUSP2ALDH1A1TSHR
SCHEMBL17830723 0.85 PKM (0.53) CYP1A2CYP3A4CYP2C19POLBMAPT
SCHEMBL17830720 0.83 TP53 (0.56) POLBMAPTLMNAUSP2ALDH1A1
SCHEMBL17830724 0.83 IDO1 (0.51) CYP3A4POLBMAPTLMNAUSP2
SCHEMBL17830735 0.82 CCR2 (0.48) CYP1A2CYP3A4CYP2C19POLBMAPT
SCHEMBL17830726 0.81 IDO1 (0.55) CYP3A4POLBMAPTLMNAUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A CYP1A2 4746/4885CYP3A4 4597/4885CYP2C19 4679/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.